1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid

C10H4Cl2N4O3S — CID 65475698

IUPAC1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2c(Cl)cc(Cl)c3nsnc23)cc1O
InChIInChI=1S/C10H4Cl2N4O3S/c11-3-1-4(12)9(8-6(3)14-20-15-8)16-2-5(17)7(13-16)10(18)19/h1-2,17H,(H,18,19)
InChIKeyNJDSWKBWJGMXSH-UHFFFAOYSA-N
MW331.14 g/mol
LogP2.59
Rot. Bonds2

About 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid

1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 65475698) has the molecular formula C10H4Cl2N4O3S and a molecular weight of 331.14 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID65475698
Molecular FormulaC10H4Cl2N4O3S
Molecular Weight331.14 g/mol
Exact Mass329.94
IUPAC Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2c(Cl)cc(Cl)c3nsnc23)cc1O
InChIInChI=1S/C10H4Cl2N4O3S/c11-3-1-4(12)9(8-6(3)14-20-15-8)16-2-5(17)7(13-16)10(18)19/h1-2,17H,(H,18,19)
InChIKeyNJDSWKBWJGMXSH-UHFFFAOYSA-N
XLogP2.59
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 65475890
1-(2,4-dichloro-6-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381249
4-hydroxy-N,N-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 71859224
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)triazole-4-carbaldehyde
CID 66213817
1-(3-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 82865004
1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381235
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381233
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine
CID 65475540
1-(1,3-benzothiazol-6-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 107806439
4-chloro-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrole-2-carboxylic acid
CID 114605799
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid (CID 65475698) is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2c(Cl)cc(Cl)c3nsnc23)cc1O.
What is the InChIKey of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is NJDSWKBWJGMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N4O3S/c11-3-1-4(12)9(8-6(3)14-20-15-8)16-2-5(17)7(13-16)10(18)19/h1-2,17H,(H,18,19).
What are the key properties of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 331.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 65475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).